N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide

C24H24N4O — CID 154861258

IUPACN-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(Cc1ccccc1)C(=O)CCc1nc2ncccc2[nH]1
InChIInChI=1S/C24H24N4O/c1-18-8-5-6-11-20(18)17-28(16-19-9-3-2-4-10-19)23(29)14-13-22-26-21-12-7-15-25-24(21)27-22/h2-12,15H,13-14,16-17H2,1H3,(H,25,26,27)
InChIKeySKEQDJSMRYWTOS-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.43
Rot. Bonds7

About N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide

N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 154861258) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID154861258
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(Cc1ccccc1)C(=O)CCc1nc2ncccc2[nH]1
InChIInChI=1S/C24H24N4O/c1-18-8-5-6-11-20(18)17-28(16-19-9-3-2-4-10-19)23(29)14-13-22-26-21-12-7-15-25-24(21)27-22/h2-12,15H,13-14,16-17H2,1H3,(H,25,26,27)
InChIKeySKEQDJSMRYWTOS-UHFFFAOYSA-N
XLogP4.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 91082689
ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate
CID 100736274
N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide
CID 170856227
N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 135993476
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982850
4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine
CID 14855677
N-[(2-methylphenyl)methyl]-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
CID 52725225
4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 62934312
2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid
CID 119358657
N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55982334
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide (CID 154861258) is N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CN(Cc1ccccc1)C(=O)CCc1nc2ncccc2[nH]1.
What is the InChIKey of N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is SKEQDJSMRYWTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-18-8-5-6-11-20(18)17-28(16-19-9-3-2-4-10-19)23(29)14-13-22-26-21-12-7-15-25-24(21)27-22/h2-12,15H,13-14,16-17H2,1H3,(H,25,26,27).
What are the key properties of N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide?
N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 154861258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).